Dataset
heteronuclear single quantum coherence (HSQC)
Chemical Info
InChI | InChI=1S/C19H16O/c1-2-3-4-5-7-12-17-13-10-11-16-19(17)20-18-14-8-6-9-15-18/h1,6,8-11,13-16H,3-5H2 |
---|---|
SMILES | C#CCCCC#Cc1ccccc1Oc1ccccc1 |
InChI Key | KCKMKKGDKVEJAO-UHFFFAOYSA-N |
Molecular Formula | C19H16O |
Exact Mass | 260.330 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KCKMKKGDKVEJAO-UHFFFAOYSA-N/CHMO0000604 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KCKMKKGDKVEJAO-UHFFFAOYSA-N/CHMO0000604 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-01-29T10:16:31.785155 |
MetadataModified | 2025-01-29T16:09:39.093754 |
MetadataPublished | 2024-10-16 |
Related Molecule |